2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole

C20H23NO2S — CID 147716280

IUPAC2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1ccc(S(=O)c2cc(C)c(C)cc2C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C20H23NO2S/c1-13-6-8-16(9-7-13)24(22)18-11-15(3)14(2)10-17(18)19-21-20(4,5)12-23-19/h6-11H,12H2,1-5H3
InChIKeyGVRLGZGTZWEKBZ-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.33
Rot. Bonds3

About 2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 147716280) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID147716280
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1ccc(S(=O)c2cc(C)c(C)cc2C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C20H23NO2S/c1-13-6-8-16(9-7-13)24(22)18-11-15(3)14(2)10-17(18)19-21-20(4,5)12-23-19/h6-11H,12H2,1-5H3
InChIKeyGVRLGZGTZWEKBZ-UHFFFAOYSA-N
XLogP4.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 147716280) is 2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole is Cc1ccc(S(=O)c2cc(C)c(C)cc2C2=NC(C)(C)CO2)cc1.
What is the InChIKey of 2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GVRLGZGTZWEKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-13-6-8-16(9-7-13)24(22)18-11-15(3)14(2)10-17(18)19-21-20(4,5)12-23-19/h6-11H,12H2,1-5H3.
What are the key properties of 2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 341.48 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 147716280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).